![2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone structure](/static/products/370/370841-79-5.png)
2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone
TL;DR: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone (CAS 370841-79-5) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methylsulfanylphenyl)ethanone
Also Known As: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-[4-(methylsulfanyl)phenyl]ethanone, 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methylsulfanylphenyl)ethanone
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.9478 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 865.4756 |
Chemical Identifiers
| CAS Number | 370841-79-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=C(C=C4)SC)OC)OCO3 |
Product Overview
2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone (CAS 370841-79-5), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: 2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone
Property Insights of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone
The XLogP value of 3.9478 indicates that 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone?
The CAS number of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone is 370841-79-5.
What is the molecular formula of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone?
The molecular formula of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone is C21H23NO4S.
What is the molecular weight of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone?
The molecular weight of 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone is 385.13 g/mol.
Where can I buy 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone?
You can request a quote for 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-(methylthio)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.